![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2,4-dimethylbenzamide](/api/spectrum/5YsQ9830uBK/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2,4-dimethylbenzamide")
| SpectraBase Compound ID | JvlmVYW9Qzf |
|---|---|
| InChI | InChI=1S/C22H25ClN2O2/c1-15-9-10-19(16(2)12-15)21(26)24-20-8-3-4-11-25(22(20)27)14-17-6-5-7-18(23)13-17/h5-7,9-10,12-13,20H,3-4,8,11,14H2,1-2H3,(H,24,26) |
| InChIKey | ZRINUMUFGMSEEI-UHFFFAOYSA-N |
| Mol Weight | 384.91 g/mol |
| Molecular Formula | C22H25ClN2O2 |
| Exact Mass | 384.160456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YsQ9830uBK |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2,4-dimethylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.160455751 u |
| Formula | C22H25ClN2O2 |
| InChI | InChI=1S/C22H25ClN2O2/c1-15-9-10-19(16(2)12-15)21(26)24-20-8-3-4-11-25(22(20)27)14-17-6-5-7-18(23)13-17/h5-7,9-10,12-13,20H,3-4,8,11,14H2,1-2H3,(H,24,26) |
| InChIKey | ZRINUMUFGMSEEI-UHFFFAOYSA-N |
| Molecular Weight | 384.907 g/mol |
| SMILES | C(C1=C(C=C(C=C1)C)C)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |